Physicochemical Properties
| Molecular Formula | C30H46O3 |
| Molecular Weight | 454.68 |
| Exact Mass | 454.345 |
| CAS # | 6812-98-2 |
| PubChem CID | 101967102 |
| Appearance | White to off-white solid powder |
| LogP | 7.153 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Heavy Atom Count | 33 |
| Complexity | 942 |
| Defined Atom Stereocenter Count | 8 |
| SMILES | CC1=C([C@H]2C3=CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC[C@]2(CC1)C(=O)O)C)C)(C)C)O)C)C |
| InChi Key | HKJOHXSLBNLQHF-OXLNSTONSA-N |
| InChi Code | InChI=1S/C30H46O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,21-24,31H,9-17H2,1-7H3,(H,32,33)/t21-,22+,23-,24-,27-,28+,29+,30-/m0/s1 |
| Chemical Name | (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-4,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-3H-picene-4a-carboxylic acid |
| HS Tariff Code | 2934.99.9001 |
| Storage |
Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| Shipping Condition | Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs) |
Biological Activity
| ln Vitro | Sanguisorbigenin's minimal inhibitory concentration values against six strains of S. The concentration of aureus is 12.5–50 μg/mL[1]. When MRSA is treated with sub-MIC (1.56-6.25 μg/mL) concentrations of Sanguisorbigenin, the expression of blaR1, mecA, and blaZ is dramatically reduced in a dose-dependent manner. Sanguisorbigenin significantly lowers the expression of the mecA gene. Sanguisorbigenin inhibits the expression of mecA and decreases the expression of PBP2a, which has a strong antibacterial action and may effectively reverse the sensation of antibiotics [1]. |
| References |
[1]. Antibacterial activity and synergy of antibiotics with sanguisorbigenin isolated from Sanguisorba officinalis L. against methicillin-resistant Staphylococcus aureus. Lett Appl Microbiol. 2021 Mar;72(3):238-244. |
| Additional Infomation | Sanguisorbigenin has been reported in Sanguisorba officinalis with data available. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~50 mg/mL (~109.97 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.25 mg/mL (2.75 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 12.5 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.1993 mL | 10.9967 mL | 21.9935 mL | |
| 5 mM | 0.4399 mL | 2.1993 mL | 4.3987 mL | |
| 10 mM | 0.2199 mL | 1.0997 mL | 2.1993 mL |